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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202535

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1202535
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'Ni']
  • Chemical System: Al-Ca-Ni
  • Density: 3.4317618971126027
  • Atomic Density: 0.0608951692572267
  • Unit Cell Volume: 722.5532096665997
  • Molar Volume: 9.889357125459217
  • Full Formula: Ca4 Al32 Ni8
  • Reduced Formula: Ca(Al4Ni)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -191.0147522
  • Final energy per atom: -4.341244368181818
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.